5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile

C21H11N3O — CID 67359937

IUPAC5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)c1cccc(-c3nc4ccccc4[nH]3)c1-2
InChIInChI=1S/C21H11N3O/c22-11-12-8-9-13-16(10-12)20(25)14-4-3-5-15(19(13)14)21-23-17-6-1-2-7-18(17)24-21/h1-10H,(H,23,24)
InChIKeyNTQKIYHMXDLYSM-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.31
Rot. Bonds1

About 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile

5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile (PubChem CID 67359937) has the molecular formula C21H11N3O and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile
PubChem CID67359937
Molecular FormulaC21H11N3O
Molecular Weight321.34 g/mol
Exact Mass321.09
IUPAC Name5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)c1cccc(-c3nc4ccccc4[nH]3)c1-2
InChIInChI=1S/C21H11N3O/c22-11-12-8-9-13-16(10-12)20(25)14-4-3-5-15(19(13)14)21-23-17-6-1-2-7-18(17)24-21/h1-10H,(H,23,24)
InChIKeyNTQKIYHMXDLYSM-UHFFFAOYSA-N
XLogP4.31
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile
CID 168554018
4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
CID 59208169
4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one
CID 67359622
9,10-dioxoanthracene-2-carbonitrile
CID 13182761
2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile
CID 67361069
2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
CID 739930
4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile
CID 4306404
6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile
CID 166593663
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile
CID 168555369

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile (CID 67359937) is 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile is N#Cc1ccc2c(c1)C(=O)c1cccc(-c3nc4ccccc4[nH]3)c1-2.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile?
The InChIKey is NTQKIYHMXDLYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N3O/c22-11-12-8-9-13-16(10-12)20(25)14-4-3-5-15(19(13)14)21-23-17-6-1-2-7-18(17)24-21/h1-10H,(H,23,24).
What are the key properties of 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile?
5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile is sourced from PubChem (CID 67359937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).